Information card for entry 7021969

Structure parameters

• Formula: C58 H42 Mn3 N10 O16
• Calculated formula: C58 H42 Mn3 N10 O16
• Title of publication: Syntheses, crystal structures and thermal properties of six coordination polymers based on 2-(p-methylphenyl)-imidazole dicarboxylate.
• Authors of publication: Zhang, Yu; Yuan, Pengfei; Zhu, Yanyan; Li, Gang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 41
• Pages of publication: 14776 - 14785
• a: 19.2934 ± 0.0011 Å
• b: 7.3673 ± 0.0004 Å
• c: 20.4117 ± 0.0011 Å
• α: 90°
• β: 101.164 ± 0.005°
• γ: 90°
• Cell volume: 2846.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No